3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide

C11H23N3O — CID 114678826

IUPAC3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(O)C(C)C1
InChIInChI=1S/C11H23N3O/c1-3-9(6-11(12)13)14-5-4-10(15)8(2)7-14/h8-10,15H,3-7H2,1-2H3,(H3,12,13)
InChIKeyUQDKIVBAYUECJR-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.79
Rot. Bonds4

About 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide

3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide (PubChem CID 114678826) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
PubChem CID114678826
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(O)C(C)C1
InChIInChI=1S/C11H23N3O/c1-3-9(6-11(12)13)14-5-4-10(15)8(2)7-14/h8-10,15H,3-7H2,1-2H3,(H3,12,13)
InChIKeyUQDKIVBAYUECJR-UHFFFAOYSA-N
XLogP0.79
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide?
The IUPAC name of 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide (CID 114678826) is 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(O)C(C)C1.
What is the InChIKey of 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide?
The InChIKey is UQDKIVBAYUECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-9(6-11(12)13)14-5-4-10(15)8(2)7-14/h8-10,15H,3-7H2,1-2H3,(H3,12,13).
What are the key properties of 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide?
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 114678826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).